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Self-organization of molecules on a solid surface is one of the promising directions for materials generation with unique magnetic, electrical, and optical properties. They can be widely used in fields such as electronics, optoelectronics, catalysis, and biology. However, the structure and physicochemical properties of adsorbed molecules are influenced by many parameters that must be taken into account when studying the self-organization of molecules. Therefore, the experimental study of such materials is expensive, and quite often it is difficult for various reasons. In such situations, it is advisable to use the mathematical modeling. One of the parameters in the considered adsorption systems is the multiparticle interaction, which is often not taken into account in simulations due to the complexity of the calculations. In this paper, we evaluated the influence of multiparticle interactions on the total energy of the system using the transfer-matrix method and the Materials Studio software package. The model of monocentric adsorption with nearest interactions on a triangular lattice was taken as the basis. Phase diagrams in the ground state were constructed and a number of thermodynamic characteristics (coverage $\theta$, entropy $S$, susceptibility $\xi$) were calculated at nonzero temperatures. The formation of all four ordered structures (lattice gas with $\theta=0$, $(\sqrt{3} \times \sqrt{3}) R30^{\circ}$ with $\theta = \frac{1}{3}$, $(\sqrt{3} \times \sqrt{3})R^{*}30^{\circ}$ with $\theta = \frac{2}{3}$ and densest phase with $\theta = 1$) in a system with only pairwise interactions, and the absence of the phase  $(\sqrt{3}\times \sqrt{3}) R30^\circ$ when only three-body interactions are taken into account, were found. Using the example of an atomistic model of the trimesic acid adsorption layer by quantum mechanical methods we determined that in such a system the contribution of multiparticle interactions is 11.44% of the pair interactions energy. There are only quantitative differences at such values. The transition region from the  $(\sqrt{3} \times \sqrt{3}) R^{*}30^\circ$ to the densest phase shifts to the right by 38.25% at $\frac{\varepsilon}{RT} = 4$ and to the left by 23.46% at $\frac{\varepsilon}{RT} = −2$.

When determining therapeutic absorbed doses in the process of radioiodine therapy, the method of individual dosimetric planning is increasingly used in Russian medicine. However, for the successful implementation of this method, it is necessary to have appropriate software that allows modeling the pharmacokinetics of radioiodine in the patient’s body and calculate the necessary therapeutic activity of a radiopharmaceutical drug to achieve the planned therapeutic absorbed dose in the thyroid gland.

Purpose of the work: development of a software package for pharmacokinetic modeling and calculation of individual absorbed doses in radioiodine therapy based on a five-chamber model of radioiodine kinetics using two mathematical optimization methods. The work is based on the principles and methods of RFLP pharmacokinetics (chamber modeling). To find the minimum of the residual functional in identifying the values of the transport constants of the model, the Hook – Jeeves method and the simulated annealing method were used. Calculation of dosimetric characteristics and administered therapeutic activity is based on the method of calculating absorbed doses using the functions of radioiodine activity in the chambers found during modeling. To identify the parameters of the model, the results of radiometry of the thyroid gland and urine of patients with radioiodine introduced into the body were used.

A software package for modeling the kinetics of radioiodine during its oral intake has been developed. For patients with diffuse toxic goiter, the transport constants of the model were identified and individual pharmacokinetic and dosimetric characteristics (elimination half-lives, maximum thyroid activity and time to reach it, absorbed doses to critical organs and tissues, administered therapeutic activity) were calculated. The activity-time relationships for all cameras in the model are obtained and analyzed. A comparative analysis of the calculated pharmacokinetic and dosimetric characteristics calculated using two mathematical optimization methods was performed. Evaluation completed the stunning-effect and its contribution to the errors in calculating absorbed doses. From a comparative analysis of the pharmacokinetic and dosimetric characteristics calculated in the framework of two optimization methods, it follows that the use of a more complex mathematical method for simulating annealing in a software package does not lead to significant changes in the values of the characteristics compared to the simple Hook – Jeeves method. Errors in calculating absorbed doses in the framework of these mathematical optimization methods do not exceed the spread of absorbed dose values from the stunning-effect.

The article considers an approach to modeling the impact of sanctions and import substitution on the performance of high-tech product markets based on the use of control theory methods (operational calculus, z-transform). The model under consideration assumes that an equipment manufacturer supplies unique high-tech equipment to a high-tech product (HP) manufacturer that dominates the equipment consumer market. The HP manufacturer, fearing disruption of equipment supplies due to the introduction of all kinds of restrictions and sanctions, invests in the development of import-substituting equipment production in a third company, which can also find application in the external market, at the expense of deductions from its profits. The influence of the following factors and actions on the performance of the conditional market is analyzed: 1) the degree of inertia of the development and production development processes in the company; 2) the share of equipment of the import-substituting company supplied to the HP manufacturer; 3) sanctions (general and selective) on the supply of equipment to the company-manufacturer of the import substitution, as well as blocking the import substitution process in the third company by the first company.

The calculations show that the acceleration of the equipment development and production processes leads to a faster decrease in the production volumes of the first company. At the same time, an increase in price is observed, which is associated with a change in the parameters of the inverse demand function.

An increase in the share of equipment of the import-substituting company consumed by the second company can lead to a sharp increase in production volumes in the second and third companies, stabilization of production volumes in the first company and an increase in price.

The introduction of sanctions leads to a decrease in the production volumes and income of all companies relative to the baseline version. A significant change in price also occurs. However, due to the inertia of the equipment production processes in the example under consideration, a significant change in production volumes in the aggregate of companies occurs with a significant lag. This is especially characteristic of the third company, in which a noticeable deviation from the baseline version begins after 20 years. The blocking by the first equipment manufacturing company of investments in the development of import substitution in the third company ensures a relatively small gain for the first company in production volumes and NPV although allows to raise her market share.

In the article, a quasi-periodic two-component dynamical model with possibility of defining the cardio-cycle morphology, that provides the model with an ability of generating a temporal and a spectral cardiosignal characteristics, including heart rate variability is described. A technique for determining the cardio-cycle morphology to provide realistic cardio-signal form is defined. A method for defining cardio-signal dynamical system by the way of determining a three-dimensional state space and equations which describe a trajectory of point’s motion in this space is presented. A technique for solving equations of motion in the three-dimensional state space of dynamical cardio-signal system using the fourth-order Runge–Kutta method is presented. Based on this model, algorithm and software package are developed. Using software package, a cardio-signal synthesis experiment is conducted and the relationship of cardio-signal diagnostic features is analyzed.

In this paper the method of concentrations is applied to the human genome. The dynamical characteristics of three different genes (ADRB2, NOS1, IL-5) with the established effect on bronchial asthma.

This article presents an integrated dynamic model of eco-economic system of the Republic of Armenia (RA). This model is constructed using system dynamics methods, which allow to consider the major feedback related to key characteristics of eco-economic system. Such model is a two-objective optimization problem where as target functions the level of air pollution and gross profit of national economy are considered. The air pollution is minimized due to modernization of stationary and mobile sources of pollution at simultaneous maximization of gross profit of national economy. At the same time considered eco-economic system is characterized by the presence of internal constraints that must be accounted at acceptance of strategic decisions. As a result, we proposed a systematic approach that allows forming sustainable solutions for the development of the production sector of RA while minimizing the impact on the environment. With the proposed approach, in particular, we can form a plan for optimal enterprise modernization and predict long-term dynamics of harmful emissions into the atmosphere.

The paper gives a detailed description of the developed methods for simulating the turbulent flow around a helicopter rotor and calculating its aerodynamic characteristics. The system of Reynolds-averaged Navier – Stokes equations for a viscous compressible gas closed by the Spalart –Allmaras turbulence model is used as the basic mathematical model. The model is formulated in a non-inertial rotating coordinate system associated with a rotor. To set the boundary conditions on the surface of the rotor, wall functions are used.

The numerical solution of the resulting system of differential equations is carried out on mixed-element unstructured grids including prismatic layers near the surface of a streamlined body.The numerical method is based on the original vertex-centered finite-volume EBR schemes. A feature of these schemes is their higher accuracy which is achieved through the use of edge-based reconstruction of variables on extended quasi-onedimensional stencils, and a moderate computational cost which allows for serial computations. The methods of Roe and Lax – Friedrichs are used as approximate Riemann solvers. The Roe method is corrected in the case of low Mach flows. When dealing with discontinuities or solutions with large gradients, a quasi-one-dimensional WENO scheme or local switching to a quasi-one-dimensional TVD-type reconstruction is used. The time integration is carried out according to the implicit three-layer second-order scheme with Newton linearization of the system of difference equations. To solve the system of linear equations, the stabilized conjugate gradient method is used.

The numerical methods are implemented as a part of the in-house code NOISEtte according to the two-level MPI–OpenMP parallel model, which allows high-performance computations on meshes consisting of hundreds of millions of nodes, while involving hundreds of thousands of CPU cores of modern supercomputers.

Based on the results of numerical simulation, the aerodynamic characteristics of the helicopter rotor are calculated, namely, trust, torque and their dimensionless coefficients.

Validation of the developed technique is carried out by simulating the turbulent flow around the Caradonna – Tung two-blade rotor and the KNRTU-KAI four-blade model rotor in hover mode mode, tail rotor in duct, and rigid main rotor in oblique flow. The numerical results are compared with the available experimental data.

In this work, we analyze the system of contracts made by Russian defense enterprises in the process of state defense order execution. We conclude that methods of statistical mechanics can be applied to the description of the given system. Following the original grand-canonical ensemble approach, we can create the statistical ensemble under investigation as a set of instant snapshots of indistinguishable contracts having individual values. We show that due to government regulations of contract prices the contract system can be described in terms of nonextensive Tsallis statistics. We have found that probability distributions of contract prices correspond to deformed Bose – Einstein distributions obtained using nonextensive Tsallis entropy. This conclusion is true both in the case of the whole set of contracts and in the case of the contracts made by an individual defense company as a seller.

In order to analyze how deformed Bose – Einstein distributions fit the empirical contract price distributions we compare the corresponding cumulative distribution functions. We conclude that annual distributions of individual sales which correspond to each company’s contract (order) can be used as relevant data for contract price distributions analysis. The empirical cumulative distribution functions for the individual sales ranking of Concern CSRI Elektropribor, one of the leading Russian defense companies, are analyzed for the period 2007–2021. The theoretical cumulative distribution functions, obtained using deformed Bose – Einstein distributions in the case of «rare contract gas» limit, fit well to the empirical cumulative distribution functions. The fitted values for the entropic index show that the degree of nonextensivity of the system under investigations is rather high. It is shown that the characteristic prices of distributions can be estimated by weighing the values of annual individual sales with the escort probabilities. Given that the fitted values of chemical potential are equal to zero, we suggest that «gas of contracts» can be compared to photon gas in which the number of particles is not conserved.

Now days the main research activity in the field of nanotechnology is aimed at the creation, study and application of new materials and new structures. Recently, much attention has been attracted by the possibility of controlling magnetic properties using a superconducting current, as well as the influence of magnetic dynamics on the current–voltage characteristics of hybrid superconductor/ferromagnet (S/F) nanostructures. In particular, such structures include the S/F/S Josephson junction or molecular nanomagnets coupled to the Josephson junctions. Theoretical studies of the dynamics of such structures need processes of a large number of coupled nonlinear equations. Numerical modeling of hybrid superconductor/magnet nanostructures implies the calculation of both magnetic dynamics and the dynamics of the superconducting phase, which strongly increases their complexity and scale, so it is advisable to use heterogeneous computing systems.

In the course of studying the physical properties of these objects, it becomes necessary to numerically solve complex systems of nonlinear differential equations, which requires significant time and computational resources.

The currently existing micromagnetic algorithms and frameworks are based on the finite difference or finite element method and are extremely useful for modeling the dynamics of magnetization on a wide time scale. However, the functionality of existing packages does not allow to fully implement the desired computation scheme.

The aim of the research is to develop a unified environment for modeling hybrid superconductor/magnet nanostructures, providing access to solvers and developed algorithms, and based on a heterogeneous computing paradigm that allows research of superconducting elements in nanoscale structures with magnets and hybrid quantum materials. In this paper, we investigate resonant phenomena in the nanomagnet system associated with the Josephson junction. Such a system has rich resonant physics. To study the possibility of magnetic reversal depending on the model parameters, it is necessary to solve numerically the Cauchy problem for a system of nonlinear equations. For numerical simulation of hybrid superconductor/magnet nanostructures, a computing environment based on the heterogeneous HybriLIT computing platform is implemented. During the calculations, all the calculation times obtained were averaged over three launches. The results obtained here are of great practical importance and provide the necessary information for evaluating the physical parameters in superconductor/magnet hybrid nanostructures.

One of the principles of forming a competitive market environment is to create conditions for economic agents to implement Nash – Cournot optimal strategies. With the standard approach to determining Nash – Cournot optimal market strategies, economic agents must have complete information about the indicators and dynamic characteristics of all market participants. Which is not true.

In this regard, to find Nash – Cournot optimal solutions in dynamic models, it is necessary to have a coordinator who has complete information about the participants. However, in the case of a large number of game participants, even if the coordinator has the necessary information, computational difficulties arise associated with the need to solve a large number of coupled equations (in the case of linear dynamic games — Riccati matrix equations).

In this regard, there is a need to decompose the general problem of determining optimal strategies for market participants into private (local) problems. Approaches based on the iterative decomposition of coupled matrix Riccati equations and the solution of local Riccati equations were studied for linear dynamic games with a quadratic criterion. This article considers a simpler approach to the iterative determination of the Nash – Cournot equilibrium in an oligopoly, by decomposition using operational calculus (operator method).

The proposed approach is based on the following procedure. A virtual coordinator, which has information about the parameters of the inverse demand function, forms prices for the prospective period. Oligopolists, given fixed price dynamics, determine their strategies in accordance with a slightly modified optimality criterion. The optimal volumes of production of the oligopolists are sent to the coordinator, who, based on the iterative algorithm, adjusts the price dynamics at the previous step.

The proposed procedure is illustrated by the example of a static and dynamic model of rational behavior of oligopoly participants who maximize the net present value (NPV). Using the methods of operational calculus (and in particular, the inverse Z-transformation), conditions are found under which the iterative procedure leads to equilibrium levels of price and production volumes in the case of linear dynamic games with both quadratic and nonlinear (concave) optimization criteria.

The approach considered is used in relation to examples of duopoly, triopoly, duopoly on the market with a differentiated product, duopoly with interacting oligopolists with a linear inverse demand function. Comparison of the results of calculating the dynamics of price and production volumes of oligopolists for the considered examples based on coupled equations of the matrix Riccati equations in Matlab (in the table — Riccati), as well as in accordance with the proposed iterative method in the widely available Excel system shows their practical identity.

In addition, the application of the proposed iterative procedure is illustrated by the example of a duopoly with a nonlinear demand function.